(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide

C22H28ClNO2 — CID 92680978

IUPAC(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
SMILESCc1cc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc(C)c1Cl
InChIInChI=1S/C22H28ClNO2/c1-14(2)11-20(18-9-7-6-8-10-18)24-22(25)17(5)26-19-12-15(3)21(23)16(4)13-19/h6-10,12-14,17,20H,11H2,1-5H3,(H,24,25)/t17-,20-/m1/s1
InChIKeyYQHHWGRSBCUFPD-YLJYHZDGSA-N
MW373.92 g/mol
LogP5.63
Rot. Bonds7

About (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide

(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide (PubChem CID 92680978) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
PubChem CID92680978
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
SMILESCc1cc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc(C)c1Cl
InChIInChI=1S/C22H28ClNO2/c1-14(2)11-20(18-9-7-6-8-10-18)24-22(25)17(5)26-19-12-15(3)21(23)16(4)13-19/h6-10,12-14,17,20H,11H2,1-5H3,(H,24,25)/t17-,20-/m1/s1
InChIKeyYQHHWGRSBCUFPD-YLJYHZDGSA-N
XLogP5.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.92
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(1-phenylpropyl)propanamide
CID 17328049
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 30394470
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
(2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 92679279
(2R)-2-(3-chlorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92679276
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 734857
(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92674586
(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 94013029
(2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 27522422
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-2-yloxypropanamide
CID 94018574
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide (CID 92680978) is (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide is Cc1cc(O[C@H](C)C(=O)N[C@H](CC(C)C)c2ccccc2)cc(C)c1Cl.
What is the InChIKey of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide?
The InChIKey is YQHHWGRSBCUFPD-YLJYHZDGSA-N. The full InChI is InChI=1S/C22H28ClNO2/c1-14(2)11-20(18-9-7-6-8-10-18)24-22(25)17(5)26-19-12-15(3)21(23)16(4)13-19/h6-10,12-14,17,20H,11H2,1-5H3,(H,24,25)/t17-,20-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide?
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide has a molecular weight of 373.92 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide is sourced from PubChem (CID 92680978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).